MolNFT v1 · #86380 · protein
Crystal structure of acinetobacter baumannii N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase (fold) complexed with NADP cofactor
4B4U · Bifunctional protein fold: “Crystal structure of acinetobacter baumannii N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase…”. X-ray diffraction, 2 ligands (NAP, CL), 4 pockets (best druggability 0.69). MolNFT v1 #86380…
- PDB
- 4B4U
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein fold
- EC
- 1.5.1.5, 3.5.4.9
- UniProt
- D0CBC8
- Ligands
- NAP, CL
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein fold (EC 1.5.1.5, 3.5.4.9) | protein | 282 | 44% helix, 16% strand | D0CBC8 |
| B | Bifunctional protein fold (EC 1.5.1.5, 3.5.4.9) | protein | 286 | 43% helix, 15% strand | D0CBC8 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.69 | 0.80 | 48 | EDO |
| 2 | 448 | 0.68 | 0.79 | 49 | EDO |
| 3 | 101 | 0.35 | 0.74 | 16 | empty |
| 4 | 88 | 0.33 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1445 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4B4U · Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt D0CBC8
- Elsewhere: RCSB PDB 4B4U · PDBe 4B4U · UniProt D0CBC8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.